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171897-74-8 | Deacetyl Iodixanol
CAS No: 171897-74-8 Catalog No: AG00ADNO MDL No:
Product Description
Catalog Number:
AG00ADNO
Chemical Name:
Deacetyl Iodixanol
CAS Number:
171897-74-8
IUPAC Name:
5-[[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
InChI:
InChI=1S/C33H42I6N6O14/c1-12(50)45(29-26(38)20(32(58)43-5-16(54)10-48)23(35)21(27(29)39)33(59)44-6-17(55)11-49)7-13(51)2-40-28-24(36)18(30(56)41-3-14(52)8-46)22(34)19(25(28)37)31(57)42-4-15(53)9-47/h13-17,40,46-49,51-55H,2-11H2,1H3,(H,41,56)(H,42,57)(H,43,58)(H,44,59)
InChI Key:
RREZWVKPVJDLJN-UHFFFAOYSA-N
Properties
Complexity:
1310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1507.703g/mol
Formal Charge:
0
Heavy Atom Count:
59
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
14
Isotope Atom Count:
0
Molecular Weight:
1508.154g/mol
Monoisotopic Mass:
1507.703g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
331A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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